Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameILOPROST
Molecular formulaC22H32O4
IUPAC name(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Molecular weight360.494
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.8
SynonymsIloprost (USAN/INN)
SCHEMBL6083382
ZK-00036374
(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
AC1NSK5T
[ Show all ]
Inchi KeyHIFJCPQKFCZDDL-ACWOEMLNSA-N
Inchi IDInChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
PubChem CID5311181
ChEMBLCHEMBL494
IUPHARN/A
BindingDB23954
DrugBankDB01088

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
115625Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
549284Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
115629Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
446229Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
115626Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
115627Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
460252Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
555921Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
115630Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
460253Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
115628Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218